SCHEMBL214381

SCHEMBL214381

Cc1cc(OCC2CCNCC2)ccc1NC(=O)c1c(C(N)=O)ncn1-c1cc(Br)ccc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 9/20 0.38
RCOR1 Q9UKL0 3/20 0.37
KHK P50053 1/20 0.36
CHEK2 O96017 1/20 0.36
PIK3CA P42336 1/20 0.36
PRKDC P78527 1/20 0.36
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
F10 P00742 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR3A P46098 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL215124 0.99 KDM1A (0.39) KDM1ARCOR1KHKCHEK2PIK3CA
SCHEMBL215161 0.91 KDM1A (0.39) KDM1ARCOR1KHKCHEK2RAB9A
Hydrochloric Acid SCHEMBL215995 0.90 KDM1A (0.40) KDM1ARCOR1KHKCHEK2RAB9A
SCHEMBL213422 0.88 RAB9A (0.43) KDM1ARCOR1CHEK2PIK3CAPRKDC
SCHEMBL214620 0.86 CHEK2 (0.39) KDM1AKHKCHEK2RAB9AMEN1
Hydrochloric Acid SCHEMBL216277 0.86 CHEK2 (0.39) KDM1AKHKCHEK2RAB9AMEN1
SCHEMBL214374 0.78 CHEK2 (0.39) CHEK2RAB9ACHRM1ITGB3ITGA2B
SCHEMBL215291 0.77 MAPT (0.34) MAPTRAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL214582 0.77 CHEK2 (0.39) KDM1ACHEK2RAB9AITGB3ITGA2B
SCHEMBL214823 0.76 CHEK2 (0.35) KDM1AKHKCHEK2MAPTRAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US claimed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US claimed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 KDM1A 963/4885RCOR1 2799/4885KHK 1418/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.